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| CAS No.: | 362606-16-4 |
|---|---|
| Name: | 8-Bromo-1,2,3,4-tetrahydro-[1,6]naphthyridine |
| Molecular Structure: | |
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| Formula: | C8H9BrN2 |
| Molecular Weight: | 213.07 |
| Synonyms: | 8-Bromo-1,2,3,4-tetrahydro-[1,6]naphthyridine;8-BroMo-1,2,3,4-tetrahydr... |
| Density: | 1.503 g/cm3 |
| Boiling Point: | 316.7 °C at 760 mmHg |
| Flash Point: | 145.3 °C |
| PSA: | 24.92000 |
| LogP: | 2.34020 |
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Specification
The CAS registry number of 1,6-Naphthyridine,8-bromo-1,2,3,4-tetrahydro- is 362606-16-4. The IUPAC name is 8-bromo-1,2,3,4-tetrahydro-1,6-naphthyridine. In addition, the molecular formula is C8H9BrN2 and the molecular weight is 213.07. It should be stored in a cool and dry place.
Physical properties about 1,6-Naphthyridine,8-bromo-1,2,3,4-tetrahydro- are: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): 2.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 29.55; (6)ACD/KOC (pH 5.5): 8.99; (7)ACD/KOC (pH 7.4): 309.53; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 24.92 Å2; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 47.55 cm3; (13)Molar Volume: 141.7 cm3; (14)Polarizability: 18.85 ×10-24cm3; (15)Surface Tension: 46.9 dyne/cm; (16)Density: 1.503 g/cm3; (17)Flash Point: 145.3 °C; (18)Enthalpy of Vaporization: 55.81 kJ/mol; (19)Boiling Point: 316.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000403 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cncc2CCCNc12
(2)InChI: InChI=1/C8H9BrN2/c9-7-5-10-4-6-2-1-3-11-8(6)7/h4-5,11H,1-3H2
(3)InChIKey: ZAUKJNJWYCYMTM-UHFFFAOYAI